D513-3689 Screening compound: 4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-fluorophenyl)methyl]benzene-1-sulfonamide

D513-3689 Screening compound: 4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-fluorophenyl)methyl]benzene-1-sulfonamide
D513-3689 Screening compound: 4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-fluorophenyl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D513-3689
4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-fluorophenyl)methyl]benzene-1-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D513-3689

Molecular Formula

C20H16Cl2FN5O2S (C20 H16 Cl2 FN5 O2 S)

Compound Name

4-chloro-N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-fluorophenyl)methyl]benzene-1-sulfonamide

IUPAC name

4-chloro-N-{6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-N-[(3-fluorophenyl)methyl]benzene-1-sulfonamide

SMILES

Cc(n1nc(N(Cc2cc(F)ccc2)S(c(cc2)ccc2Cl)(=O)=O)nc1nc1C)c1Cl

InChI

InChI=1S/C20H16Cl2FN5O2S/c1-12-18(22)13(2)28-19(24-12)25-20(26-28)27(11-14-4-3-5-16(23)10-14)31(29,30)17-8-6-15(21)7-9-17/h3-10H,11H2,1-2H3

InChI Key

NBSHTQDSSSYQDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.740

Distribution Coefficient, logD

4.740

Water Solubility, LogSw

-5.10

Polar Surface Area

61.857

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D513-3689 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D513-3689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D513-3689?
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What is the minimum amount of D513-3689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D513-3689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D513-3689
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D513-3689 available by request